3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid

C16H25NO3 — CID 62215608

IUPAC3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H25NO3/c18-15(19)7-6-13-3-1-2-8-17(13)16(20)14-10-11-4-5-12(14)9-11/h11-14H,1-10H2,(H,18,19)
InChIKeyMLOBQZGHBTUOAG-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.67
Rot. Bonds4

About 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid

3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid (PubChem CID 62215608) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid
PubChem CID62215608
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid
SMILESO=C(O)CCC1CCCCN1C(=O)C1CC2CCC1C2
InChIInChI=1S/C16H25NO3/c18-15(19)7-6-13-3-1-2-8-17(13)16(20)14-10-11-4-5-12(14)9-11/h11-14H,1-10H2,(H,18,19)
InChIKeyMLOBQZGHBTUOAG-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216258
2-bicyclo[2.2.1]heptanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 81484137
2-bicyclo[2.2.1]heptanyl-[2-(2-bromopropyl)pyrrolidin-1-yl]methanone
CID 112748467
3-[1-[(2R)-pyrrolidine-2-carbonyl]piperidin-2-yl]propanoic acid
CID 103868803
3-[1-(oxolane-2-carbonyl)piperidin-2-yl]propanoic acid
CID 62217275
3-[1-(2-methylpiperidine-4-carbonyl)piperidin-2-yl]propanoic acid
CID 106739919
3-[(2S)-1-[(3S)-1-methylsulfonylpiperidine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 125149445
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[1-(5-fluoropyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 104785546
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
3-amino-4-[2-(2-carboxyethyl)piperidin-1-yl]-4-oxobutanoic acid
CID 64895769
3-[1-(pyridine-3-carbonyl)piperidin-2-yl]propanoic acid
CID 62215598

Frequently Asked Questions

What is the IUPAC name of 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid (CID 62215608) is 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid is O=C(O)CCC1CCCCN1C(=O)C1CC2CCC1C2.
What is the InChIKey of 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid?
The InChIKey is MLOBQZGHBTUOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c18-15(19)7-6-13-3-1-2-8-17(13)16(20)14-10-11-4-5-12(14)9-11/h11-14H,1-10H2,(H,18,19).
What are the key properties of 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid?
3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid has a molecular weight of 279.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62215608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).